ChemSpider 2D Image | (4R,8S,15Z)-23-Chloro-18-(2-methoxyphenyl)-2H,10H-spiro[6,13-dioxa-19-thia-3,9,18-triazatricyclo[18.3.1.0~4,8~]tetracosa-1(24),15,20,22-tetraene-11,3'-pyrrolidine]-2,10-dione 19,19-dioxide | C28H33ClN4O7S

(4R,8S,15Z)-23-Chloro-18-(2-methoxyphenyl)-2H,10H-spiro[6,13-dioxa-19-thia-3,9,18-triazatricyclo[18.3.1.04,8]tetracosa-1(24),15,20,22-tetraene-11,3'-pyrrolidine]-2,10-dione 19,19-dioxide

  • Molecular FormulaC28H33ClN4O7S
  • Average mass605.102 Da
  • Monoisotopic mass604.175842 Da
  • ChemSpider ID103735367

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4R,8S,15Z)-23-Chloro-18-(2-methoxyphenyl)-2H,10H-spiro[6,13-dioxa-19-thia-3,9,18-triazatricyclo[18.3.1.04,8]tetracosa-1(24),15,20,22-tetraene-11,3'-pyrrolidine]-2,10-dione 19,19-dioxide [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.654
Molar Refractivity: 153.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: -0.18
ACD/LogD (pH 5.5): -2.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 69.1±5.0 dyne/cm
Molar Volume: 418.2±5.0 cm3

Click to predict properties on the Chemicalize site


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